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CHEBI:38227 - macrophomic acid

ChEBI IDCHEBI:38227
ChEBI Namemacrophomic acid
Stars
DefinitionA methoxybenzoic acid having a single methoxy group at the 3-position together with acetyl and methyl substituents at the 4- and 5-positions respectively.
Last Modified14 March 2011
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC11H12O4
Net Charge0
Average Mass208.213
Monoisotopic Mass208.07356
SMILESCOc1cc(C(=O)O)cc(C)c1C(C)=O
InChIInChI=1S/C11H12O4/c1-6-4-8(11(13)14)5-9(15-3)10(6)7(2)12/h4-5H,1-3H3,(H,13,14)
InChIKeyGWSISRLRTQOQNE-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
macrophomic acid (CHEBI:38227) has functional parent benzoic acid (CHEBI:30746)
macrophomic acid (CHEBI:38227) is a methoxybenzoic acid (CHEBI:25238)
macrophomic acid (CHEBI:38227) is conjugate acid of macrophomate (CHEBI:38228)
Incoming Relation(s)
macrophomate (CHEBI:38228) is conjugate base of macrophomic acid (CHEBI:38227)
IUPAC Name 
4-acetyl-3-methoxy-5-methylbenzoic acid
Registry NumbersSources
Reaxys:5743941Reaxys